U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C13H18O
Molecular Weight 190.2814
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-DAMASCENONE-, (E)-

SMILES

C\C=C\C(=O)C1C(C)=CC=CC1(C)C

InChI

InChIKey=JGBBQKAJVHEQJM-FNORWQNLSA-N
InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-9,12H,1-4H3/b7-5+

HIDE SMILES / InChI

Molecular Formula C13H18O
Molecular Weight 190.2814
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:03:26 GMT 2023
Edited
by admin
on Sat Dec 16 10:03:26 GMT 2023
Record UNII
38EN0KQ56X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-DAMASCENONE-, (E)-
Common Name English
2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-2,4-CYCLOHEXADIEN-1-YL)-, (2E)-
Systematic Name English
TRANS-2,6,6-TRIMETHYL-1-(2-BUTENOYL)CYCLOHEXA-2,4-DIENE
Systematic Name English
2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-2,4-CYCLOHEXADIEN-1-YL)-, (E)-
Systematic Name English
Code System Code Type Description
CAS
41641-03-6
Created by admin on Sat Dec 16 10:03:26 GMT 2023 , Edited by admin on Sat Dec 16 10:03:26 GMT 2023
PRIMARY
PUBCHEM
68473438
Created by admin on Sat Dec 16 10:03:26 GMT 2023 , Edited by admin on Sat Dec 16 10:03:26 GMT 2023
PRIMARY
FDA UNII
38EN0KQ56X
Created by admin on Sat Dec 16 10:03:26 GMT 2023 , Edited by admin on Sat Dec 16 10:03:26 GMT 2023
PRIMARY